{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4571177 0.4000647 -0.6011216 ] [ 1.4790837 2.7629188 0.6311598 ] [ 1.7317859 -0.9524526 0.4137669 ] [ -0.7290546 -0.0843882 -2.9617003 ] [ 0.0869988 -0.797081 -0.9246875 ] [ 1.8317468 -0.4449601 -1.3224407 ] [ -0.8395071 -1.4319713 3.5117885 ] [ -1.1039359 0.5478698 1.2532349 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.936736533493868e-09 6.409743091473658e-10 -9.631029737778893e-10 ] [ 2.369753324346361e-09 4.426683906528791e-09 1.011229475548804e-09 ] [ 2.774626881211087e-09 -1.525997288140174e-09 6.629276536408916e-10 ] [ -1.168074235406696e-09 -1.352048011113946e-10 -4.745166978476347e-09 ] [ 1.393874433976551e-10 -1.277064543083885e-09 -1.481512694046e-09 ] [ 2.934781898185214e-09 -7.129046694088302e-10 -2.118783571934387e-09 ] [ -1.345038648615608e-09 -2.294270938516583e-09 5.626505431894301e-09 ] [ -1.768700289841807e-09 8.777841848023718e-10 2.007903657150626e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.918777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.754822475712876e-18 } }